1-Methoxy-4-(trifluoromethoxy)benzene
Properties
- Molecular formula
- C8H7F3O2
- Molar mass
- 192.14 g/mol
- Exact mass
- 192.0398 Da
- Boiling point
- 162 °C
- logP
- 2.59Crippen estimate
- Polar surface area
- 18.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H226 Flammable liquid and vapor97.9% of notifiers
- H302 Harmful if swallowed87.2% of notifiers
- H312 Harmful in contact with skin87.2% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled87.2% of notifiers
- H335 May cause respiratory irritation95.7% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
710-18-9SMILES
COc1ccc(OC(F)(F)F)cc1InChIKey
NOAFZIOGGDPYKK-UHFFFAOYSA-NInChI
InChI=1S/C8H7F3O2/c1-12-6-2-4-7(5-3-6)13-8(9,10)11/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzene, 1-methoxy-4-(trifluoromethoxy)-
- 4-(Trifluoromethoxy)anisole
Work with 1-Methoxy-4-(trifluoromethoxy)benzene
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
4-Trifluoromethoxytoluene706-27-462 % similar
1-Fluoro-4-(trifluoromethoxy)benzene352-67-058 % similar
1,4-Dimethoxybenzene150-78-757 % similar
(Trifluoromethoxy)benzene456-55-356 % similar
1-Iado-4-(trifluoromethoxy)benzene103962-05-656 % similar
4-(Trifluoromethoxy)thiophenol169685-29-456 % similar
1-Methoxy-4-(trifluoromethyl)benzene402-52-856 % similar
1-Bromo-4-(trifluoromethoxy)benzene407-14-756 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.